Dichlorodehydroabietic acid
[CAS# 57055-39-7]

Identification

• Name: Dichlorodehydroabietic acid
• Synonyms: Methyl (1R,4As,10Ar)-1,2-Dichloro-7-Isopropyl-4A-Methyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylate; (1R,4As,10Ar)-1,2-Dichloro-7-Isopropyl-4A-Methyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid Methyl Ester; 1-Phenanthrenecarboxylic Acid, Dichloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1Theta-(1Alpha,4Abeta,10Aalpha))-
• Molecular Formula: C₂₀H₂₆Cl₂O₂
• Molecular Weight: 369.33
• CAS Registry Number: 57055-39-7
• SMILES: [C@]2(C(CC[C@@]3(C1=C(C=C(C=C1)C(C)C)CC[C@@H]23)C)Cl)(C(=O)OC)Cl
• InChI: 1S/C20H26Cl2O2/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(15,3)10-9-17(21)20(16,22)18(23)24-4/h5,7,11-12,16-17H,6,8-10H2,1-4H3/t16-,17?,19-,20+/m1/s1
• InChIKey: FZRDVVUUKRKZMM-FQVATPOOSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 440.452°C at 760 mmHg (Cal.)
• Flash point: 147.618°C (Cal.)